tert-Butylbenzene

134.21800

134.22

202-632-4

M1R2NME7S2

6557

2709

DTXSID3047138

Liquid|Colorless liquid

2902909090

0

2.98410

clear, colorless clear liquid

0.8669 g/cm³ @ Temp: 20 °C

-57.8 °C

169.1 °C

44ºC

1.4927

H2O: 0.03 g/L (20 ºC)

Flammables area

4.79 mm Hg ( 37.7 °C)

3.16 (169 °C, vs air)

Lower flammable limit: 0.7% at 212 deg F (100 deg C) by volume; Upper flammable limit: 5.7% at 212 deg F (100 deg C) by volume

LEL: 0.7% at 212 deg F; UEL: 5.7% at 212 deg F

4.60e-12 cm3/molecule*sec

Odorous /monobutylbenzenes/|Wt/Vol conversion: 5.98 mg/cu m= 1 ppm|Hydroxyl radical rate constant= 4.60X10-12 cu cm/molecule-sec @ 25 °C

842 °F (450 °C)

Lower flammable limit: 0.7% at 212 °F (100 °C) by volume; Upper flammable limit: 5.7% at 212 °F (100 °C) by volume

III

3

UN 2709

1

R10; R20; R38

S23-S24/25

CY9120000

Xn

Stable. Flammable. Incompatible with oxidizing agents, combustible material.

P305 + P351 + P338

H226-H319

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Incompatible with oxidizing materials.

Flammable - 3rd degree

|Warning|H226 (88.75%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 161 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P309+P311, P311, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501

Flammable liquid when exposed to heat or flame.

LEL: 0.7% at 212 °F; UEL: 5.7% at 212 °F

To fight fire, use foam, carbon dioxide, dry chemical, water spray, fog, mist.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.

t-Butylbenzene was detected, not quantified in the raw influent to a waste treatment system at a polyester finishing plant effluent(1). The compound was identified as a volatile from pre-aeration wastewater samples taken from a sewage treatment plant in Singapore(4). It was also identified as one of the 400 gas-phase hydrocarbon compounds in emissions from gasoline-powered motor vehicles in highway operation in the Allegheny Mountain Tunnel of the Pennsylvania Turnpike in 1979(2). t-Butylbenzene has been identified in effluent resulting from coal/refuse combustion(3).

SOIL: t-Butylbenzene was detected at a maximum concn of 141 mg/kg in soil under a building which was recently demolished. Contamination was caused by leakages of solvents and paint raw materials over many years(1).

URBAN/SUBURBAN: t-Butylbenzene was detected using gas chromatographic analysis of Paris air during the fall of 1972(1). The ambient air of the Los Angeles, CA basin contained t-butylbenzene at concns ranging from 0.019 to 0.045 ppm v/v(2). t-Butylbenzene was detected in the ambient air of the Kanawha Valley, WV, Houston, TX and vicinity, and the Los Angeles, CA basin(3). It was detected in ambient air of Los Angeles, CA during 1966-1968 and in Azusa, CA in 1967(4).|SOURCE DOMINATED: t-Butylbenzene was identified not quantified in the air of six industrial cities of the USSR(1). t-Butylbenzene was detected at concns ranging from 0 to 39 ug/cu m in ambient air samples from six sites around Gatwick Airport, London, collected during August to November 1979(2).

t-Butylbenzene's production and use as a chemical intermediate and solvent(1) may result in its release to the environment through various waste streams(SRC). A composite gasoline sample obtained in Los Angeles, CA contained 0.12% t-butylbenzene by weight(2).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1181(SRC), determined from a structure estimation method(2), indicates that t-butylbenzene is expected to have low mobility in soil(SRC). Volatilization of t-butylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an Henry's Law constant of 1.32X10-2 atm-cu m/mole(3), derived from its vapor pressure, 2.20 mm Hg(4), and water solubility, 29.5 mg/l(5). The potential for volatilization of t-butylbenzene from dry soil surfaces may exist(SRC) based upon its vapor pressure(4). However, adsorption to soil is expected to attenuate volatilization(SRC). Biodegradation from soil may occur based on activated sludge study results(6-9).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1181(SRC), determined from a structure estimation method(11), indicates that t-butylbenzene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.32X10-2 atm-cu m/mole(4), derived from it's vapor pressure of 2.20 mm Hg(7) and water solubility of 29.5 mg/l(8). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1 hr and 4 days, respectively(SRC). The volatilization half-life from a model pond is 30 days if adsorption is considered(9). According to a classification scheme(5), an estimated BCF of 291(SRC), from its log Kow of 4.11(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is high. Biodegradation from water may occur(10).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), t-butylbenzene, which has a vapor pressure of 2.20 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase t-butylbenzene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 3 days(SRC), calculated from its rate constant of 4.60X10-12 cu cm/molecule-sec at 25 °C(3).

The rate constant for the vapor-phase reaction of t-butylbenzene with photochemically-produced hydroxyl radicals has been estimated as 4.60X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 3 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). t-Butylbenzene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3) nor to directly photolyze due to the lack of absorption in the environmental UV spectrum (>290 nm).

An estimated BCF of 291 was calculated for t-butylbenzene(SRC), using a log Kow of 4.11(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high.

Soil (Mediterranean red sandy clay) samples with different moisture contents (0.0, 0.8, 4.0, and 12%, wt/wt) were contaminated by vapors and/or liquid from a mixture containing 5 kerosene components (m-xylene, pseudo-cumene, t-butylbenzene (6.67% by vol), n-decane and n-dodecane). Vapor adsorption was found to be dependent on the vapor concn of each component and on the soil moisture content. Adsorption of t-butylbenzene on soil was 50 and 15 ug/g at 7 °C, 120 and 47 at 17 °C, 210 and 60 at 27 °C, and 330 and 100 ug/g at 34 °C for oven dried and air dried soil, respectively. The sorption coefficients of t-butylbenzene decr with incr temp but showed only a very slight variability between 20 and 34 °C, in air-dried soil. Volatilization from soil was high: 92.5% of t-butylbenzene was desorbed in less than 2 hr, and 99.7% in 16 hr.|Using a structure estimation method based on molecular connectivity indices(1), the Koc for t-butylbenzene can be estimated to be 1181(SRC). According to a classification scheme(2), this estimated Koc value suggests that t-butylbenzene is expected to have low mobility in soil.

The Henry's Law constant for t-butylbenzene is estimated as 1.32X10-2 atm-cu m/mole(SRC), derived from its vapor pressure, 2.20 mm Hg(1), and water solubility, 29.5 mg/l(2). This Henry's Law constant indicates that t-butylbenzene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 1 hr(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). The volatilization half-life from a model pond is 8 days if adsorption is considered(4). t-Butylbenzene's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of t-butylbenzene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 2.20 mm Hg(1).

GROUNDWATER: t-Butylbenzene was detected in 10% of 30 randomly selected wells collected from Denver, CO in 1993 at a maximum concn of 1.1 ug/l(1). Land-use settings include residential, commercial, and industrial(1).|DRINKING WATER: t-Butylbenzene has been identified in drinking water samples, locations not specified(1).

t-Butylbenzene was identified as one of the 420 volatile flavor components of Idaho Russet Burbank baked potatoes, at a relative concn of 0.16, the most abundant being "1"(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 28 workers (none of these are female) are potentially exposed to t-butylbenzene in the US(1). Mono-substituted butylbenzenes were detected in the printing (3%), painting (8%), car repair (10%), and various other areas (13%) in Belgium industries and workshops(2). Occupational exposure to t-butylbenzene may occur through inhalation and dermal contact with this compound at workplaces where t-butylbenzene is produced or used(SRC).

YIELDS 2,2-DIMETHYL-2-PHENYLETHANOL IN RABBIT. /FROM TABLE/|.../MONOBUTYLBENZENES/ ARE BELIEVED TO BE READILY METABOLIZED BY SIDE CHAIN HYDROXYLATION AND CONJUGATION FOR URINARY EXCRETION.|FROM CULTURES OF ACHROMOBACTER STRAINS A2 IN THE PRESENCE OF TERT-BUTYLBENZENE, A DIOL WAS ISOLATED AND IDENTIFIED AS 2,3-DIHYDRO-2,3-DIHYDROXY-TERT-BUTYLBENZENE. EVIDENCE FOR META CLEAVAGE OF THE AROMATIC RING AND FOR ACCUMULATION OF PIVALIC ACID IN THE CULTURES WAS ALSO OBTAINED.

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aromatic hydrocarbons and related compounds/|Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in respiratory arrest. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aromatics hydrocarbons and related compounds/

t-butylbenzene

Technical, pure, research

Benzene, (1,1-dimethylethyl)-: ACTIVE

DETERMINATION OF TERT-BUTYLBENZENE BY GAS CHROMATOGRAPHY.|AOB Method VG-011-1. Halogenated and Aromatic Volatile Organic Compounds (VOCs) in Whole Gas Analyzed by Purge and Trap GC/ELCD/PID.|EMSLC Method 502.2. Volatile Organic Compounds in Water by Purge and Trap Capillary Column Gas Chromatography with Photoionization and Electrolytic Conductivity Detectors in Series. Revision 2.0. Detection limit= 0.060 ug/l. (PID)|EMSLC Method 503.1. Volatile Aromatic and Unsaturated Organic Compounds in Water by Purge and Trap Gas Chromatography. Revision 2.0. Detection limit= 0.006 ug/l.|For more Analytic Laboratory Methods (Complete) data for T-BUTYLBENZENE (10 total), please visit the HSDB record page.

Fire Hazards -> Flammable - 3rd degree